[(2Z)-4-(4-ethoxy-2-oxidanylidene-pyrimidin-1-yl)-2-(fluoranylmethylidene)butyl] benzoate

Systemtic Name: [(2Z)-4-(4-ethoxy-2-oxidanylidene-pyrimidin-1-yl)-2-(fluoranylmethylidene)butyl] benzoate Openeye Name: [(2Z)-4-(4-ethoxy-2-oxo-pyrimidin-1-yl)-2-(fluoromethylene)butyl] benzoate CAS Name: benzoic acid [(2Z)-4-(4-ethoxy-2-oxo-1-pyrimidinyl)-2-(fluoromethylidene)butyl] ester IUPAC Name: [(2Z)-4-(4-ethoxy-2-oxopyrimidin-1-yl)-2-(fluoromethylidene)butyl] benzoate Traditional Name: benzoic acid [(Z)-2-[2-(4-ethoxy-2-keto-pyrimidin-1-yl)ethyl]-3-fluoro-allyl] ester Formula: C18H19FN2O4 MolecularWeight: 346.352863

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC(=O)N(C=C1)CCC(=CF)COC(=O)C2=CC=CC=C2

Isomeric SMILES

CCOC1=NC(=O)N(C=C1)CC/C(=C/F)/COC(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H19FN2O4/c1-2-24-16-9-11-21(18(23)20-16)10-8-14(12-19)13-25-17(22)15-6-4-3-5-7-15/h3-7,9,11-12H,2,8,10,13H2,1H3/b14-12-